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Papers Benchmarks Datasets Tasks

Property Prediction research benchmarks – Page 3 · SOTA2 Research

Property Prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

HIV (Y=1) Scaffold split (alpha=0.05)

95Coverage

3

Feb 26, 2026

HIV (Y=0) Scaffold split (alpha=0.05)

Unweighted (baseline)

96Coverage

3

Feb 26, 2026

ClinTox (Y=1) Scaffold split (alpha=0.05)

97Coverage

3

Feb 26, 2026

ClinTox (Y=0) Scaffold split (alpha=0.05)

95Coverage

3

Feb 26, 2026

AMES (Y=1) Scaffold split (alpha=0.05)

Unweighted (baseline)

91Coverage

3

Feb 26, 2026

AMES (Y=0) Scaffold split (alpha=0.05)

93Coverage

3

Feb 26, 2026

Tox21 (Y=1) Fingerprint split (alpha=0.2)

Unweighted (baseline)

97Coverage

3

Feb 26, 2026

Tox21 (Y=0) Fingerprint split (alpha=0.2)

87Coverage

3

Feb 26, 2026

HIV (Y=1) Fingerprint split (alpha=0.2)

90Coverage

3

Feb 26, 2026

HIV (Y=0) Fingerprint split (alpha=0.2)

Unweighted (baseline)

89Coverage

3

Feb 26, 2026

ClinTox (Y=1) Fingerprint split (alpha=0.2)

73Coverage

3

Feb 26, 2026

ClinTox (Y=0) Fingerprint split (alpha=0.2)

68Coverage

3

Feb 26, 2026

AMES (Y=1) Fingerprint (alpha=0.2)

82Coverage

3

Feb 26, 2026

AMES (Y=0) Fingerprint split (alpha=0.2)

Unweighted (baseline)

100Coverage

3

Feb 26, 2026

Tox21 (Y=1) Fingerprint split (alpha=0.05)

97Coverage

3

Feb 26, 2026

Tox21 (Y=0) Fingerprint split (alpha=0.05)

0.93Coverage

3

Feb 26, 2026

HIV (Y=1) Fingerprint split (alpha=0.05)

97Coverage

3

Feb 26, 2026

HIV (Y=0) Fingerprint split (alpha=0.05)

Unweighted (baseline)

96Coverage

3

Feb 26, 2026

ClinTox (Y=1) Fingerprint split (alpha=0.05)

Unweighted (baseline)

93Coverage

3

Feb 26, 2026

ClinTox (Y=0) Fingerprint split (alpha=0.05)

94Coverage

3

Feb 26, 2026

AMES (Y=1) Fingerprint split (alpha=0.05)

95Coverage

3

Feb 26, 2026

AMES (Y=0) Fingerprint split (alpha=0.05)

Unweighted (baseline)

100Coverage

3

Feb 26, 2026

0.038MAE

3

Feb 27, 2026

Page 3 of 3

Popular datasets

HIV Tox21 AMES ClinTox QED

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